DOCK Blaster:Protocols
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Protocols are procedural lego bricks to carry out some manipulation or series of manipulations involved in or peripheral to ligand discovery. They are different from tutorials, which are thematic and project-oriented, and typically may call upon one or more protocols.
Before docking
Protocol B1:
- x
- y
- z
Protocol B2: Assemble a list of decoys
- x
- y
- z
Protocol B3: Prepare a ligand for docking
- x
- y
- z
Protocol B4: Prepare a list of N random molecules
- x
- y
- z
Protocol B5: Generate 3D representations of molecules from SMILES
- x
- y
- z
Protocol B6:
- x
- y
- z
Docking
Protocol D1: Dock a single ligand to a single target
- x
- y
- z
After docking
Protocol A1: Cluster molecules
- x
- y
- z
Protocol A2: Purchase compounds
- x
- y
- z
Protocol U1: similarity searching
- x
- y
- z
Protocol U2: generate 2D depiction from SMILES
- x
- y
- z
Protocol U3: xxx
- x
- y
- z